Water clusters: TIP4P/2005 model: Difference between revisions
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==Related reading== | ==Related reading== | ||
*[http://dx.doi.org/10.1021/jp910770y Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé "Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility", Journal of Physical Chemistry B (Article ASAP) (2010)] | |||
Latest revision as of 11:51, 4 February 2010
The following clusters are for the classical TIP4P/2005 model of water at a temperature of 0K. The structures and energies shown here were calculated by Dr. Briesta Sigoñe González González of the Universidad de La Laguna.
n=2
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n2.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -28.70919 kJ/mol n=3
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n3.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -76.97527 kJ/mol n=4
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n4.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -128.26187 kJ/mol n=5
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n5.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -167.30640 kJ/mol n=6
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n6.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -217.98344 kJ/mol n=7
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n7.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -268.50828 kJ/mol n=8
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n8.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -336.82099 kJ/mol n=9
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n9.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -379.58274 kJ/mol n=10
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n10.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -431.00357 kJ/mol n=11
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n11.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -475.72719 kJ/mol n=12
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n12.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -543.64445kJ/mol n=13
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n13.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -587.80681 kJ/mol n=14
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n14.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -642.89755 kJ/mol n=15
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n15.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -692.88441 kJ/mol n=16
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n16.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -751.48215 kJ/mol n=17
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n17.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -798.42361 kJ/mol n=18
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n18.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -852.91211 kJ/mol n=19
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersTIP4P/2005n19.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -905.72903 kJ/mol Related reading[edit]
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